2-[(1,4-dimethylpiperazin-2-yl)methyl]-3-ethyl-1-hept-6-enyl-1-methylguanidine;hydroiodide

C18H38IN5 — CID 109483330

IUPAC2-[(1,4-dimethylpiperazin-2-yl)methyl]-3-ethyl-1-hept-6-enyl-1-methylguanidine;hydroiodide
SMILESC=CCCCCCN(C)/C(=N/CC1CN(C)CCN1C)NCC.I
InChIInChI=1S/C18H37N5.HI/c1-6-8-9-10-11-12-23(5)18(19-7-2)20-15-17-16-21(3)13-14-22(17)4;/h6,17H,1,7-16H2,2-5H3,(H,19,20);1H
InChIKeyKKOLGGTUIZFDCX-UHFFFAOYSA-N
MW451.44 g/mol
LogP2.49
Rot. Bonds9

About 2-[(1,4-dimethylpiperazin-2-yl)methyl]-3-ethyl-1-hept-6-enyl-1-methylguanidine;hydroiodide

2-[(1,4-dimethylpiperazin-2-yl)methyl]-3-ethyl-1-hept-6-enyl-1-methylguanidine;hydroiodide (PubChem CID 109483330) has the molecular formula C18H38IN5 and a molecular weight of 451.44 g/mol. Its IUPAC name is 2-[(1,4-dimethylpiperazin-2-yl)methyl]-3-ethyl-1-hept-6-enyl-1-methylguanidine;hydroiodide.

Molecular Properties

Compound Name2-[(1,4-dimethylpiperazin-2-yl)methyl]-3-ethyl-1-hept-6-enyl-1-methylguanidine;hydroiodide
PubChem CID109483330
Molecular FormulaC18H38IN5
Molecular Weight451.44 g/mol
Exact Mass451.22
IUPAC Name2-[(1,4-dimethylpiperazin-2-yl)methyl]-3-ethyl-1-hept-6-enyl-1-methylguanidine;hydroiodide
SMILESC=CCCCCCN(C)/C(=N/CC1CN(C)CCN1C)NCC.I
InChIInChI=1S/C18H37N5.HI/c1-6-8-9-10-11-12-23(5)18(19-7-2)20-15-17-16-21(3)13-14-22(17)4;/h6,17H,1,7-16H2,2-5H3,(H,19,20);1H
InChIKeyKKOLGGTUIZFDCX-UHFFFAOYSA-N
XLogP2.49
TPSA34.11 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.44
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-[(1,4-dimethylpiperazin-2-yl)methyl]-3-ethyl-1-hept-6-enyl-1-methylguanidine;hydroiodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Ethyl-1-hept-6-enyl-1-methyl-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine;hydroiodide
CID 109482924
1-Ethyl-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-3-(1-prop-2-enylpiperidin-4-yl)guanidine;hydroiodide
CID 112031048
3-[2-(4-Ethylpiperazin-1-yl)propyl]-1-hept-6-enyl-1,2-dimethylguanidine;hydroiodide
CID 109482906
3-[2-(4-Ethylpiperazin-1-yl)propyl]-1-hept-6-enyl-1,2-dimethylguanidine
CID 109482907
3-Ethyl-1-hept-6-enyl-1-methyl-2-[2-(4-methylpiperazin-1-yl)propyl]guanidine;hydroiodide
CID 109482944
3-Ethyl-1-hept-6-enyl-1-methyl-2-[2-(4-methylpiperazin-1-yl)propyl]guanidine
CID 109482945
2-[2-(Tert-butylamino)ethyl]-3-ethyl-1-hept-6-enyl-1-methylguanidine;hydroiodide
CID 109483062
2-[2-(Tert-butylamino)ethyl]-3-ethyl-1-hept-6-enyl-1-methylguanidine
CID 109483063
1-Hept-6-enyl-1,2-dimethyl-3-[[1-(2-methylpropyl)piperidin-3-yl]methyl]guanidine;hydroiodide
CID 109483116
1-Hept-6-enyl-1,2-dimethyl-3-[[1-(2-methylpropyl)piperidin-3-yl]methyl]guanidine
CID 109483117
3-[2-(4-Ethylpiperazin-1-yl)ethyl]-1-hept-6-enyl-1,2-dimethylguanidine;hydroiodide
CID 109483146
3-[2-(4-Ethylpiperazin-1-yl)ethyl]-1-hept-6-enyl-1,2-dimethylguanidine
CID 109483147

Frequently Asked Questions

What is the IUPAC name of 2-[(1,4-dimethylpiperazin-2-yl)methyl]-3-ethyl-1-hept-6-enyl-1-methylguanidine;hydroiodide?
The IUPAC name of 2-[(1,4-dimethylpiperazin-2-yl)methyl]-3-ethyl-1-hept-6-enyl-1-methylguanidine;hydroiodide (CID 109483330) is 2-[(1,4-dimethylpiperazin-2-yl)methyl]-3-ethyl-1-hept-6-enyl-1-methylguanidine;hydroiodide.
What is the SMILES notation for 2-[(1,4-dimethylpiperazin-2-yl)methyl]-3-ethyl-1-hept-6-enyl-1-methylguanidine;hydroiodide?
The canonical SMILES for 2-[(1,4-dimethylpiperazin-2-yl)methyl]-3-ethyl-1-hept-6-enyl-1-methylguanidine;hydroiodide is C=CCCCCCN(C)/C(=N/CC1CN(C)CCN1C)NCC.I.
What is the InChIKey of 2-[(1,4-dimethylpiperazin-2-yl)methyl]-3-ethyl-1-hept-6-enyl-1-methylguanidine;hydroiodide?
The InChIKey is KKOLGGTUIZFDCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N5.HI/c1-6-8-9-10-11-12-23(5)18(19-7-2)20-15-17-16-21(3)13-14-22(17)4;/h6,17H,1,7-16H2,2-5H3,(H,19,20);1H.
What are the key properties of 2-[(1,4-dimethylpiperazin-2-yl)methyl]-3-ethyl-1-hept-6-enyl-1-methylguanidine;hydroiodide?
2-[(1,4-dimethylpiperazin-2-yl)methyl]-3-ethyl-1-hept-6-enyl-1-methylguanidine;hydroiodide has a molecular weight of 451.44 g/mol, XLogP of 2.49, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,4-dimethylpiperazin-2-yl)methyl]-3-ethyl-1-hept-6-enyl-1-methylguanidine;hydroiodide is sourced from PubChem (CID 109483330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).